N-(4-ethylphenyl)-N-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]furan-2-carboxamide

C31H32N2O3 — CID 42858284

IUPACN-(4-ethylphenyl)-N-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]furan-2-carboxamide
SMILESCCc1ccc(N(C(=O)c2ccco2)C2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)cc1
InChIInChI=1S/C31H32N2O3/c1-2-24-13-15-26(16-14-24)33(31(34)30-12-7-21-35-30)27-17-19-32(20-18-27)23-25-8-6-11-29(22-25)36-28-9-4-3-5-10-28/h3-16,21-22,27H,2,17-20,23H2,1H3
InChIKeyCUCZKDUPBNRFJT-UHFFFAOYSA-N
MW480.61 g/mol
LogP6.95
Rot. Bonds8

About N-(4-ethylphenyl)-N-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]furan-2-carboxamide

N-(4-ethylphenyl)-N-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]furan-2-carboxamide (PubChem CID 42858284) has the molecular formula C31H32N2O3 and a molecular weight of 480.61 g/mol. Its IUPAC name is N-(4-ethylphenyl)-N-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-N-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]furan-2-carboxamide
PubChem CID42858284
Molecular FormulaC31H32N2O3
Molecular Weight480.61 g/mol
Exact Mass480.24
IUPAC NameN-(4-ethylphenyl)-N-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]furan-2-carboxamide
SMILESCCc1ccc(N(C(=O)c2ccco2)C2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)cc1
InChIInChI=1S/C31H32N2O3/c1-2-24-13-15-26(16-14-24)33(31(34)30-12-7-21-35-30)27-17-19-32(20-18-27)23-25-8-6-11-29(22-25)36-28-9-4-3-5-10-28/h3-16,21-22,27H,2,17-20,23H2,1H3
InChIKeyCUCZKDUPBNRFJT-UHFFFAOYSA-N
XLogP6.95
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.61
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(4-ethylphenyl)-N-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]furan-2-carboxamide with MolForge

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Related Compounds

N-(3,4-dimethoxyphenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]furan-2-carboxamide
CID 42853305
N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N-(4-methylphenyl)furan-2-carboxamide
CID 42853344
N-(1-benzylpiperidin-4-yl)-N-(4-fluorophenyl)furan-2-carboxamide
CID 42853216
N-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-N-(3-methoxyphenyl)furan-2-carboxamide
CID 46161815
2-[methyl-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]amino]acetic acid
CID 122042964
2-[ethyl-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]amino]acetic acid
CID 122043217
4-methoxy-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-N-phenylbenzamide
CID 46047925
N-(3,4-dimethoxyphenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]furan-2-carboxamide
CID 42853300
N-(1-benzylpiperidin-4-yl)-N-cyclopropylfuran-2-carboxamide
CID 3256683
N-(3-fluorophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide
CID 165361570
N-(4-fluorophenyl)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]furan-2-carboxamide
CID 42858050
N-(4-ethylphenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 46052058

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-N-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]furan-2-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-N-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]furan-2-carboxamide (CID 42858284) is N-(4-ethylphenyl)-N-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]furan-2-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-N-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]furan-2-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-N-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]furan-2-carboxamide is CCc1ccc(N(C(=O)c2ccco2)C2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-N-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]furan-2-carboxamide?
The InChIKey is CUCZKDUPBNRFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N2O3/c1-2-24-13-15-26(16-14-24)33(31(34)30-12-7-21-35-30)27-17-19-32(20-18-27)23-25-8-6-11-29(22-25)36-28-9-4-3-5-10-28/h3-16,21-22,27H,2,17-20,23H2,1H3.
What are the key properties of N-(4-ethylphenyl)-N-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]furan-2-carboxamide?
N-(4-ethylphenyl)-N-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]furan-2-carboxamide has a molecular weight of 480.61 g/mol, XLogP of 6.95, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-N-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]furan-2-carboxamide is sourced from PubChem (CID 42858284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).